6-bromo-7-methylimidazo[1,2-a]pyridine

• ChemBase ID: 87784
• Molecular Formular: C8H7BrN2
• Molecular Mass: 211.05858
• Monoisotopic Mass: 209.97926023
• SMILES: Brc1cn2c(ncc2)cc1C
• Canonical SMILES: Cc1cc2nccn2cc1Br
• InChI: InChI=1S/C8H7BrN2/c1-6-4-8-10-2-3-11(8)5-7(6)9/h2-5H,1H3
• InChIKey: TYDYYXQQGZNATK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-7-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 6-bromo-7-methylimidazo[1,2-a]pyridine
• Synonyms: 6-Bromo-7-methylimidazo[1,2-a]pyridine; 6-Bromo-7-methylimidazo[1,2-a]pyridine 98%

Database IDs

• CAS Number: 116355-18-1
• MDL Number: MFCD09258769
• PubChem SID: 162074824
• PubChem CID: 22032341

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2330889
• LogD (pH = 7.4): 1.9866127
• Log P: 2.0417235
• Molar Refractivity: 48.6004 cm^3
• Polarizability: 17.865717 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%